![(E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/850/850156-71-7.png)
(E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850156-71-7) is a chemical compound with molecular formula C28H29N5O2S and molecular weight 499.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-5-imino-6-[[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-5-imino-6-({1-[2-(2-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-5-imino-6-[[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C28H29N5O2S |
|---|---|
| Molecular Weight | 499.20 g/mol |
| LogP | 6.08409 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.2042 |
| Heavy Atoms | 36 |
| Complexity | 1430.7177 |
Chemical Identifiers
| CAS Number | 850156-71-7 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CCOC5=CC=CC=C5C)/C(=O)N=C2S1 |
Product Overview
(E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 850156-71-7), with molecular formula C28H29N5O2S and molecular weight 499.20 g/mol. IUPAC: (6E)-5-imino-6-[[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 6.08409 indicates that (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 850156-71-7.
What is the molecular formula of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C28H29N5O2S.
What is the molecular weight of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 499.20 g/mol.
Where can I buy (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-imino-2-(pentan-3-yl)-6-((1-(2-(o-tolyloxy)ethyl)-1H-indol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.